2-[(3-morpholin-4-ylpropylamino)methyl]phenol;oxalic acid

C16H24N2O6 — CID 23724403

IUPAC2-[(3-morpholin-4-ylpropylamino)methyl]phenol;oxalic acid
SMILESO=C(O)C(=O)O.Oc1ccccc1CNCCCN1CCOCC1
InChIInChI=1S/C14H22N2O2.C2H2O4/c17-14-5-2-1-4-13(14)12-15-6-3-7-16-8-10-18-11-9-16;3-1(4)2(5)6/h1-2,4-5,15,17H,3,6-12H2;(H,3,4)(H,5,6)
InChIKeyOEZUKOJHQRYAME-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.36
Rot. Bonds6

About 2-[(3-morpholin-4-ylpropylamino)methyl]phenol;oxalic acid

2-[(3-morpholin-4-ylpropylamino)methyl]phenol;oxalic acid (PubChem CID 23724403) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[(3-morpholin-4-ylpropylamino)methyl]phenol;oxalic acid.

Molecular Properties

Compound Name2-[(3-morpholin-4-ylpropylamino)methyl]phenol;oxalic acid
PubChem CID23724403
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC Name2-[(3-morpholin-4-ylpropylamino)methyl]phenol;oxalic acid
SMILESO=C(O)C(=O)O.Oc1ccccc1CNCCCN1CCOCC1
InChIInChI=1S/C14H22N2O2.C2H2O4/c17-14-5-2-1-4-13(14)12-15-6-3-7-16-8-10-18-11-9-16;3-1(4)2(5)6/h1-2,4-5,15,17H,3,6-12H2;(H,3,4)(H,5,6)
InChIKeyOEZUKOJHQRYAME-UHFFFAOYSA-N
XLogP0.36
TPSA119.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-morpholin-4-ylpropylamino)methyl]phenol;oxalic acid?
The IUPAC name of 2-[(3-morpholin-4-ylpropylamino)methyl]phenol;oxalic acid (CID 23724403) is 2-[(3-morpholin-4-ylpropylamino)methyl]phenol;oxalic acid.
What is the SMILES notation for 2-[(3-morpholin-4-ylpropylamino)methyl]phenol;oxalic acid?
The canonical SMILES for 2-[(3-morpholin-4-ylpropylamino)methyl]phenol;oxalic acid is O=C(O)C(=O)O.Oc1ccccc1CNCCCN1CCOCC1.
What is the InChIKey of 2-[(3-morpholin-4-ylpropylamino)methyl]phenol;oxalic acid?
The InChIKey is OEZUKOJHQRYAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.C2H2O4/c17-14-5-2-1-4-13(14)12-15-6-3-7-16-8-10-18-11-9-16;3-1(4)2(5)6/h1-2,4-5,15,17H,3,6-12H2;(H,3,4)(H,5,6).
What are the key properties of 2-[(3-morpholin-4-ylpropylamino)methyl]phenol;oxalic acid?
2-[(3-morpholin-4-ylpropylamino)methyl]phenol;oxalic acid has a molecular weight of 340.38 g/mol, XLogP of 0.36, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-morpholin-4-ylpropylamino)methyl]phenol;oxalic acid is sourced from PubChem (CID 23724403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).